%chk=000046398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046398

0 1
 Cl   4.255300     -0.5948000     -3.9999999E-04
 S   -3.541500     -0.8333000      6.0000003E-04
 O   -1.376000      0.8114000     -1.9999999E-04
 N  -0.9117000      -1.406900     -9.9999997E-05
 C   0.2620000     -0.6926000       0.000000    
 C  -1.8300001E-02  0.6658000       0.000000    
 C    1.601200      -1.108200      9.9999997E-05
 C   0.9398000       1.672000      9.9999997E-05
 C   -1.835500     -0.4712000     -3.9999999E-04
 C    2.597400     -0.1211000      3.0000001E-04
 C    2.270800       1.240600      1.9999999E-04
 C   -4.243500      0.8382000     -3.0000001E-04
 H    1.850700      -2.164700     -9.9999997E-05
 H   0.6765000       2.722200      9.9999997E-05
 H    3.058400       1.991800      1.9999999E-04
 H   -3.931500       1.386800      0.8927000    
 H   -5.334600      0.7677000       0.000000    
 H   -3.932000       1.385700     -0.8941000    


%chk=000046398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046398

0 1
Cl 4.372116 -0.601123 0.000102
S -3.631081 -0.874778 -0.000026
O -1.428584 0.815719 -0.000106
N -0.912283 -1.459535 -0.000030
C 0.294187 -0.705851 -0.000003
C -0.011808 0.685299 -0.000053
C 1.637387 -1.134195 0.000036
C 0.953378 1.695425 -0.000075
C -1.874097 -0.552157 0.000005
C 2.610740 -0.116690 0.000038
C 2.304246 1.267343 -0.000013
C -4.302044 0.891118 -0.000244
H 1.901295 -2.193511 0.000071
H 0.695403 2.757119 -0.000128
H 3.113583 2.001913 -0.000023
H -3.969404 1.419243 0.903478
H -5.396206 0.775009 -0.000278
H -3.969329 1.419052 -0.904052


